ethyl 2-[3-methylbutylcarbamoyl-(propanoylamino)amino]-3-phenylsulfanyl-propanoate

Systemtic Name: ethyl 2-[3-methylbutylcarbamoyl-(propanoylamino)amino]-3-phenylsulfanyl-propanoate Openeye Name: ethyl 2-[isopentylcarbamoyl-(propanoylamino)amino]-3-phenylsulfanyl-propanoate CAS Name: 2-[[(3-methylbutylamino)-oxomethyl]-(1-oxopropylamino)amino]-3-(phenylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-methylbutylcarbamoyl-(propanoylamino)amino]-3-phenylsulfanylpropanoate Traditional Name: 2-[isoamylcarbamoyl(propionamido)amino]-3-(phenylthio)propionic acid ethyl ester Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NN(C(CSC1=CC=CC=C1)C(=O)OCC)C(=O)NCCC(C)C

Isomeric SMILES

CCC(=O)NN(C(CSC1=CC=CC=C1)C(=O)OCC)C(=O)NCCC(C)C

InChI

InChI=1S/C20H31N3O4S/c1-5-18(24)22-23(20(26)21-13-12-15(3)4)17(19(25)27-6-2)14-28-16-10-8-7-9-11-16/h7-11,15,17H,5-6,12-14H2,1-4H3,(H,21,26)(H,22,24)